CID 53677987

191544-79-3

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@@H](C1)N)C(=O)OC
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-8(10(15)17-4)5-9(13)7-14/h8-9H,5-7,13H2,1-4H3/t8-,9+/m1/s1
InChIKey
BEOGYMDIRWHZBM-BDAKNGLRSA-N
Compound name
1-O-tert-butyl 3-O-methyl (3R,5S)-5-aminopiperidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

258.15796 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.165236 160.5
[M+Na]+ 281.147178 165.1
[M-H]- 257.150684 161.7
[M+NH4]+ 276.191783 175.7
[M+K]+ 297.121118 165.2
[M+H-H2O]+ 241.155220 154.1
[M+HCOO]- 303.156161 176.6
[M+CH3COO]- 317.171811 196.8
[M+Na-2H]- 279.132626 160.8
[M]+ 258.15741142 159.1
[M]- 258.15850858 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe